2-benzyl-4-phenyl-1H-isoquinoline

C22H19N — CID 101006090

IUPAC2-benzyl-4-phenyl-1H-isoquinoline
SMILESC1=C(c2ccccc2)c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C22H19N/c1-3-9-18(10-4-1)15-23-16-20-13-7-8-14-21(20)22(17-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2
InChIKeyFXBMXYAUQXBUOE-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.09
Rot. Bonds3

About 2-benzyl-4-phenyl-1H-isoquinoline

2-benzyl-4-phenyl-1H-isoquinoline (PubChem CID 101006090) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-benzyl-4-phenyl-1H-isoquinoline.

Molecular Properties

Compound Name2-benzyl-4-phenyl-1H-isoquinoline
PubChem CID101006090
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2-benzyl-4-phenyl-1H-isoquinoline
SMILESC1=C(c2ccccc2)c2ccccc2CN1Cc1ccccc1
InChIInChI=1S/C22H19N/c1-3-9-18(10-4-1)15-23-16-20-13-7-8-14-21(20)22(17-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2
InChIKeyFXBMXYAUQXBUOE-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-phenyl-1H-isoquinoline
CID 101006091
2-benzyl-4-bromo-1H-isoquinoline-6-carboxamide
CID 174778661
1-benzyl-3,5-dimethyl-2H-pyridine
CID 152701817
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 45263090
N-[2-(2-benzyl-1H-isoquinolin-4-yl)ethyl]-N-(6-methyl-1,2,4,5-tetrazin-3-yl)acetamide
CID 170855909
1-benzyl-5-methyl-2,4-dihydropyridin-3-one
CID 91446287
2-benzyl-8-(3-bromophenyl)-3,4-dihydro-1H-isoquinoline
CID 23344348
[4-[[6-carbamoyl-4-(4-chlorophenyl)-1H-isoquinolin-2-yl]methyl]phenyl]methanesulfinic acid
CID 174778613
1-benzyl-2,4-dihydropyridin-3-one
CID 19761155
1-benzyl-4,5-dihydrobenzo[g]indazole
CID 134834345
4-(3-methoxyphenyl)-2-methyl-1H-isoquinoline
CID 146534951
1-benzyl-4-phenyl-1,3-diaza-2-azanidacyclopent-3-ene
CID 172828479

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-phenyl-1H-isoquinoline?
The IUPAC name of 2-benzyl-4-phenyl-1H-isoquinoline (CID 101006090) is 2-benzyl-4-phenyl-1H-isoquinoline.
What is the SMILES notation for 2-benzyl-4-phenyl-1H-isoquinoline?
The canonical SMILES for 2-benzyl-4-phenyl-1H-isoquinoline is C1=C(c2ccccc2)c2ccccc2CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-phenyl-1H-isoquinoline?
The InChIKey is FXBMXYAUQXBUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-3-9-18(10-4-1)15-23-16-20-13-7-8-14-21(20)22(17-23)19-11-5-2-6-12-19/h1-14,17H,15-16H2.
What are the key properties of 2-benzyl-4-phenyl-1H-isoquinoline?
2-benzyl-4-phenyl-1H-isoquinoline has a molecular weight of 297.40 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-phenyl-1H-isoquinoline is sourced from PubChem (CID 101006090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).